Glycoside
GD150245
Name:
6-amino-2-({4-carboxy-1-hydroxy-4-[(1-hydroxy-2-{[1-hydroxy-2-({1,4,5,6-tetrahydroxy-2-[(1-hydroxyethylidene)amino]hexan-3-yl}oxy)propylidene]amino}propylidene)amino]butylidene}amino)-6-(C-hydroxycarbonimidoyl)hexanoic acidFormula:
C26H46O14N6Smiles:
CC(O)=NC(CO)C(OC(C)C(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=N)O)C(=O)O)C(=O)O)C(O)C(O)COAglycone:
CC(O)=NCCO.CCC(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=N)O)C(=O)O)C(=O)OSugarmoiety:
OCC(O)C(O)C(O)OOOther Identifiers
Properties
| HBA: | 20 | RingCount: | 0 |
| HBD: | 14 | FractionCSP3: | 0.73 |
| AlogP: | -1.21 | Num_rotatable_bonds: | 23 |
| MolWt: | 666.68 | Num_heavy_atoms: | 46 |
| TPSA: | 365.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD45321
Formula: C4H9O2N
Smiles:
CC(O)=NCCO| HBA: | 3 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 0.75 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.12 | Num_heavy_atoms: | 7 |
| TPSA: | 52.82 | NumAromaticRings: | 0 |
AD58173
Formula: C18H31O8N5
Smiles:
CCC(O)=NC(C)C(O)=NC(CCC(O)=NC(CCCC(N)C(=N)O)C(=O)O)C(=O)O| HBA: | 13 | RingCount: | 0 |
| HBD: | 9 | FractionCSP3: | 0.67 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 15 |
| MolWt: | 445.47 | Num_heavy_atoms: | 31 |
| TPSA: | 242.47 | NumAromaticRings: | 0 |
